1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one

C19H26O2 — CID 66366370

IUPAC1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one
SMILESCc1cc(OC2CC(=O)C23CCCCC3)ccc1C(C)C
InChIInChI=1S/C19H26O2/c1-13(2)16-8-7-15(11-14(16)3)21-18-12-17(20)19(18)9-5-4-6-10-19/h7-8,11,13,18H,4-6,9-10,12H2,1-3H3
InChIKeyKIMFAKMOOJHUDU-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.79
Rot. Bonds3

About 1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one

1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one (PubChem CID 66366370) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one
PubChem CID66366370
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one
SMILESCc1cc(OC2CC(=O)C23CCCCC3)ccc1C(C)C
InChIInChI=1S/C19H26O2/c1-13(2)16-8-7-15(11-14(16)3)21-18-12-17(20)19(18)9-5-4-6-10-19/h7-8,11,13,18H,4-6,9-10,12H2,1-3H3
InChIKeyKIMFAKMOOJHUDU-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.4]octan-3-one
CID 66369238
1-(4-bromo-3-methylphenoxy)spiro[3.4]octan-3-one
CID 83134532
3-bromo-1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.4]octane
CID 66344195
1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one
CID 66367605
1-(4-ethylphenoxy)spiro[3.6]decan-3-one
CID 66368427
1-(4-bromo-3-fluorophenoxy)spiro[3.5]nonan-3-one
CID 66368502
3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one
CID 79619017
1-(2,5-dimethylphenoxy)spiro[3.5]nonan-3-one
CID 66369239
1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one
CID 66369109
1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one
CID 66367673
1-propan-2-yloxyspiro[3.5]nonan-3-one
CID 66367846
2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
CID 63472880

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one?
The IUPAC name of 1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one (CID 66366370) is 1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one.
What is the SMILES notation for 1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one?
The canonical SMILES for 1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one is Cc1cc(OC2CC(=O)C23CCCCC3)ccc1C(C)C.
What is the InChIKey of 1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one?
The InChIKey is KIMFAKMOOJHUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-13(2)16-8-7-15(11-14(16)3)21-18-12-17(20)19(18)9-5-4-6-10-19/h7-8,11,13,18H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one?
1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one has a molecular weight of 286.42 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one is sourced from PubChem (CID 66366370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).